2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline

C14H22N2O3S — CID 107406883

IUPAC2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCCCO2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-11-9-13(15)12(4-2)14(10-11)20(17,18)16-7-5-6-8-19-16/h9-10H,3-8,15H2,1-2H3
InChIKeyXPPDPGMYFASKRF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds4

About 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline

2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 107406883) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
PubChem CID107406883
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCCCO2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-11-9-13(15)12(4-2)14(10-11)20(17,18)16-7-5-6-8-19-16/h9-10H,3-8,15H2,1-2H3
InChIKeyXPPDPGMYFASKRF-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol
CID 107407173
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016
1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol
CID 107406571
2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 113375345
3-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-diethylaniline
CID 107407046
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
CID 113375351
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 107405806
2-naphthalen-1-ylsulfonyloxazinane
CID 114795467

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline (CID 107406883) is 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline is CCc1cc(N)c(CC)c(S(=O)(=O)N2CCCCO2)c1.
What is the InChIKey of 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is XPPDPGMYFASKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-11-9-13(15)12(4-2)14(10-11)20(17,18)16-7-5-6-8-19-16/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline?
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 298.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 107406883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).